6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione

C23H20Cl2N6O4 — CID 166843508

IUPAC6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESNc1nn(-c2cc(Cl)c(OC3=NNC(O)C(C4CC(c5ccccc5)C4)=C3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C23H20Cl2N6O4/c24-16-8-14(31-23(34)27-22(33)20(26)30-31)9-17(25)19(16)35-18-10-15(21(32)29-28-18)13-6-12(7-13)11-4-2-1-3-5-11/h1-5,8-10,12-13,21,29,32H,6-7H2,(H2,26,30)(H,27,33,34)
InChIKeyLPKWMDZFGCJKOK-UHFFFAOYSA-N
MW515.36 g/mol
LogP2.54
Rot. Bonds4

About 6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione

6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione (PubChem CID 166843508) has the molecular formula C23H20Cl2N6O4 and a molecular weight of 515.36 g/mol. Its IUPAC name is 6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
PubChem CID166843508
Molecular FormulaC23H20Cl2N6O4
Molecular Weight515.36 g/mol
Exact Mass514.09
IUPAC Name6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
SMILESNc1nn(-c2cc(Cl)c(OC3=NNC(O)C(C4CC(c5ccccc5)C4)=C3)c(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C23H20Cl2N6O4/c24-16-8-14(31-23(34)27-22(33)20(26)30-31)9-17(25)19(16)35-18-10-15(21(32)29-28-18)13-6-12(7-13)11-4-2-1-3-5-11/h1-5,8-10,12-13,21,29,32H,6-7H2,(H2,26,30)(H,27,33,34)
InChIKeyLPKWMDZFGCJKOK-UHFFFAOYSA-N
XLogP2.54
TPSA147.62 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.36
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,5-dichloro-4-[(6-propan-2-yl-8-oxa-2,3-diazabicyclo[5.1.0]octa-3,5-dien-4-yl)oxy]phenyl]-6-(methylsulfanylmethyl)-1,2,4-triazine-3,5-dione
CID 155276816
6-amino-2-[3,5-dichloro-4-[(7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridin-4-yl)oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 164765797
6-amino-2-[3,5-dichloro-4-[[(7R)-7-methyl-1-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridazin-4-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 163293556
6-amino-2-[3,5-dichloro-4-[[5-(dimethylamino)-6-oxo-1H-pyridin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 163293529
6-amino-2-[4-[[5-(1-bicyclo[2.1.1]hexanyl)-6-oxo-1H-pyridazin-3-yl]oxy]-3,5-dichlorophenyl]-1,2,4-triazine-3,5-dione
CID 155268244
6-amino-2-[3-chloro-4-[(5-cyclopentyl-6-methylidene-1H-pyridin-3-yl)oxy]-5-methylphenyl]-1,2,4-triazine-3,5-dione
CID 163293535
cis-(1S,2S)-2-[3-[4-(6-amino-3,5-dioxo-1,2,4-triazin-2-yl)-2,6-dichlorophenoxy]-6-oxo-1H-pyridazin-5-yl]cyclobutane-1-carbonitrile
CID 155268327
6-amino-2-[3,5-dichloro-4-[4-methyl-2-(5-methylthiophen-2-yl)quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione
CID 168966415
6-amino-2-[3,5-dichloro-4-[[4-(3-ethylphenyl)-6-oxo-1H-pyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 155268471
6-amino-2-[3,5-dichloro-4-(1-oxospiro[5,6-dihydro-2H-cyclopenta[d]pyridazine-7,1'-cyclopentane]-4-yl)oxyphenyl]-1,2,4-triazine-3,5-dione
CID 163293567
6-amino-2-[3,5-dichloro-4-[[1-(1,1-difluoro-1-phosphanylpropan-2-yl)-6-oxo-3-pyridinyl]oxy]phenyl]-1,2,4-triazine-3,5-dione
CID 163293517
6-amino-2-[3,5-dichloro-4-[4-methyl-2-(6-methyl-3-pyridinyl)quinolin-6-yl]oxyphenyl]-1,2,4-triazine-3,5-dione
CID 168966414

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione (CID 166843508) is 6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione is Nc1nn(-c2cc(Cl)c(OC3=NNC(O)C(C4CC(c5ccccc5)C4)=C3)c(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
The InChIKey is LPKWMDZFGCJKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N6O4/c24-16-8-14(31-23(34)27-22(33)20(26)30-31)9-17(25)19(16)35-18-10-15(21(32)29-28-18)13-6-12(7-13)11-4-2-1-3-5-11/h1-5,8-10,12-13,21,29,32H,6-7H2,(H2,26,30)(H,27,33,34).
What are the key properties of 6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione?
6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione has a molecular weight of 515.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[3,5-dichloro-4-[[6-hydroxy-5-(3-phenylcyclobutyl)-1,6-dihydropyridazin-3-yl]oxy]phenyl]-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 166843508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).